1-[[4-(4-ethylcyclohexyl)cyclohexyl]-hydroperoxymethyl]-2-fluoro-4-propylcyclohexane

C24H43FO2 — CID 22089341

IUPAC1-[[4-(4-ethylcyclohexyl)cyclohexyl]-hydroperoxymethyl]-2-fluoro-4-propylcyclohexane
SMILESCCCC1CCC(C(OO)C2CCC(C3CCC(CC)CC3)CC2)C(F)C1
InChIInChI=1S/C24H43FO2/c1-3-5-18-8-15-22(23(25)16-18)24(27-26)21-13-11-20(12-14-21)19-9-6-17(4-2)7-10-19/h17-24,26H,3-16H2,1-2H3
InChIKeyWWNMAMFFLUUDFT-UHFFFAOYSA-N
MW382.60 g/mol
LogP7.42
Rot. Bonds7

About 1-[[4-(4-ethylcyclohexyl)cyclohexyl]-hydroperoxymethyl]-2-fluoro-4-propylcyclohexane

1-[[4-(4-ethylcyclohexyl)cyclohexyl]-hydroperoxymethyl]-2-fluoro-4-propylcyclohexane (PubChem CID 22089341) has the molecular formula C24H43FO2 and a molecular weight of 382.60 g/mol. Its IUPAC name is 1-[[4-(4-ethylcyclohexyl)cyclohexyl]-hydroperoxymethyl]-2-fluoro-4-propylcyclohexane.

Molecular Properties

Compound Name1-[[4-(4-ethylcyclohexyl)cyclohexyl]-hydroperoxymethyl]-2-fluoro-4-propylcyclohexane
PubChem CID22089341
Molecular FormulaC24H43FO2
Molecular Weight382.60 g/mol
Exact Mass382.32
IUPAC Name1-[[4-(4-ethylcyclohexyl)cyclohexyl]-hydroperoxymethyl]-2-fluoro-4-propylcyclohexane
SMILESCCCC1CCC(C(OO)C2CCC(C3CCC(CC)CC3)CC2)C(F)C1
InChIInChI=1S/C24H43FO2/c1-3-5-18-8-15-22(23(25)16-18)24(27-26)21-13-11-20(12-14-21)19-9-6-17(4-2)7-10-19/h17-24,26H,3-16H2,1-2H3
InChIKeyWWNMAMFFLUUDFT-UHFFFAOYSA-N
XLogP7.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.60
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-ethylcyclohexyl)cyclohexyl]-hydroperoxymethyl]-2-fluoro-4-propylcyclohexane?
The IUPAC name of 1-[[4-(4-ethylcyclohexyl)cyclohexyl]-hydroperoxymethyl]-2-fluoro-4-propylcyclohexane (CID 22089341) is 1-[[4-(4-ethylcyclohexyl)cyclohexyl]-hydroperoxymethyl]-2-fluoro-4-propylcyclohexane.
What is the SMILES notation for 1-[[4-(4-ethylcyclohexyl)cyclohexyl]-hydroperoxymethyl]-2-fluoro-4-propylcyclohexane?
The canonical SMILES for 1-[[4-(4-ethylcyclohexyl)cyclohexyl]-hydroperoxymethyl]-2-fluoro-4-propylcyclohexane is CCCC1CCC(C(OO)C2CCC(C3CCC(CC)CC3)CC2)C(F)C1.
What is the InChIKey of 1-[[4-(4-ethylcyclohexyl)cyclohexyl]-hydroperoxymethyl]-2-fluoro-4-propylcyclohexane?
The InChIKey is WWNMAMFFLUUDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43FO2/c1-3-5-18-8-15-22(23(25)16-18)24(27-26)21-13-11-20(12-14-21)19-9-6-17(4-2)7-10-19/h17-24,26H,3-16H2,1-2H3.
What are the key properties of 1-[[4-(4-ethylcyclohexyl)cyclohexyl]-hydroperoxymethyl]-2-fluoro-4-propylcyclohexane?
1-[[4-(4-ethylcyclohexyl)cyclohexyl]-hydroperoxymethyl]-2-fluoro-4-propylcyclohexane has a molecular weight of 382.60 g/mol, XLogP of 7.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-ethylcyclohexyl)cyclohexyl]-hydroperoxymethyl]-2-fluoro-4-propylcyclohexane is sourced from PubChem (CID 22089341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).